2-Piperidon

2-Piperidone

HCID 12665CAS 27154-43-4

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Grundinformationen

Standard-SMILES: O=C1CCCCN1
InChIKey: XUWHAWMETYGRKB-UHFFFAOYSA-N
Summenformel: C5H9NO
Durchschnittliche Molmasse: 99,13 g/mol
Monoisotopische Masse: 99,06841391

Überblick

Piperidin-2-one is a delta-lactam that is piperidine which is substituted by an oxo group at position 2. It has a role as an EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor. It is a member of piperidones and a delta-lactam.

Namen und Bezeichner

Bevorzugter Name: 2-Piperidone
IUPAC: piperidin-2-one
Lokaler Name: 2-Piperidon
Englischer Name: 2-Piperidone
Summenformel: C5H9NO
Molmasse: 99.13

Namen und Synonyme

2-Piperidonepiperidin-2-one675-20-7DELTA-VALEROLACTAM2-Piperidinone5-PentanolactamValerolactimPiperidonalpha-PiperidonePiperidone-22-oxopiperidineWLN0GQQ6EK

Weitere Namen anzeigen

VALEROLACTAM5-Aminovaleric acid lactamD-VALEROLACTAM6-VALEROLACTAM

NSC-2305DTXSID1060976NSC-18894CHEBI:77761RefChem:910229DTXCID7044897211-622-9Piperidinone

Datenbank-Bezeichner

CAS: 27154-43-4、675-20-7
PubChem CID: 12665
DTXSID: DTXSID1060976
ChEMBL: CHEMBL12193
ChEBI: CHEBI:77761
UNII: WLN0GQQ6EK
EC Number: 211-622-9
Nikkaji: J7.090D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 80,1

Experimentelle und physikochemische Eigenschaften

PolymersPlastics & Rubber -> Other Monomers

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP-0.46

Solubility291 mg/mL at 25 °C

Melting Point39.5 °C

Physical Description · 2 Einträge

White or off-white crystalline solid; [Alfa Aesar MSDS]

Solid

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-40 °C (lit.)
Siedepunkt: 256 °C · 256 °C (lit.) 81-82 °C/0.1 mmHg (lit.)
Dichte: 1.073 · 1.073
Brechungsindex: 1.4431 · 1.4431 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Low Melting Crystalline Mass
Farbe: White to yellow to brown
PH: 4.8 · 4.8 (200g/l, H2O, 20℃)
Explosionsgrenze: 1.5 · 1.5-8.7%(V)
Wasserlöslichkeit: 291 g/L · 291 g/L (25 ºC)
BRN: 106434 · 106434
Stabilität: Stable under recommended storage conditions., Stable Under Recommended Storage C
InChI: 1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
InChIKey: XUWHAWMETYGRKB-UHFFFAOYSA-N
SMILES: O=C1CCCCN1
CAS Datenbank: 675 · 675-20-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Piperidinone(675-20-7)
EPA chemische Informationen: 2 · 2-Piperidone (675-20-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 20% (2 of 10) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2-Piperidinone

2-Piperidinone: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryCauses convulsions and cyanosis in acute oral studies of rats; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Caprolactam, 2-Pyrrolidone, and Cyclododecalactam.

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Sicherheitsdaten

F: 3-10
wgk: 3
tsca: TSCA listed
hs_code: 29337900
RTECS-Nr.: TO0110000
risk_code: 36/37-36/37/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Piperidinone: ACTIVE

Anwendungen · 1 Eintrag

Verwendenδ-Valerolactam is a useful synthetic intermediate. It is an intermediate used to synthesize Cenicriviroc (C256550), an experimental drug candidate for the treatment of HIV infection. It is also a starting material for a new route to hexahydrojulolidines, using intramolecular 1,4-cycloaddition.

Darstellung

synthetische2-Piperidone can be obtained from cyclopentanone as raw material by a two-step reaction.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

3-Morpholino-1-(4-(2-oxopiperidin-1-yl)phenyl)-5,6-dihydropyridin-2(1H)-one 1-(2-aminoethyl)piperidin-2-one N-Boc-3,4-dihydro-2H-pyridine 3-Chloropyridin-2-ol 1-(Trimethylsilyl)piperidine-2-one 6-ethoxy-2,3,4,5-tetrahydropyridine ethyl 2-(2-oxopiperidin-1-yl)acetate 3-Isoquinolinecarboxamide, 2-[2-(4-chlorophenyl)acetyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-N-methyl-N-[4-(2-oxo-1-piperidinyl)phenyl]-, (3S)-

Anbieter1 Anbieter

Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 2-Piperidone is a delta-lactam that is piperidine which is substituted by an oxo group at position 2. It has a role as an EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor. It is a member of piperidones and a delta-lactam.